2-(morpholin-4-yl)-2-(pyridin-3-yl)acetic acid

• ChemBase ID: 306721
• Molecular Formular: C11H14N2O3
• Molecular Mass: 222.24046
• Monoisotopic Mass: 222.10044232
• SMILES: N1(C(C(=O)O)c2cnccc2)CCOCC1
• Canonical SMILES: OC(=O)C(c1cccnc1)N1CCOCC1
• InChI: InChI=1S/C11H14N2O3/c14-11(15)10(9-2-1-3-12-8-9)13-4-6-16-7-5-13/h1-3,8,10H,4-7H2,(H,14,15)
• InChIKey: SEVNNXIIBJAOPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)-2-(pyridin-3-yl)acetic acid
• IUPAC Traditional name: morpholin-4-yl(pyridin-3-yl)acetic acid
• Synonyms: morpholin-4-yl(pyridin-3-yl)acetic acid

Database IDs

• CAS Number: 933761-00-3
• MDL Number: MFCD09055217

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8787359
• LogD (pH = 7.4): -3.1189997
• Log P: -1.7127357
• Molar Refractivity: 57.3482 cm^3
• Polarizability: 22.509254 Å^3
• Polar Surface Area: 62.66 Å^2